SCHEMBL22095384

SCHEMBL22095384

COB(OC)c1cccc2cccc(B(OC)OC)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
HPGD P15428 7/20 0.39
HSD17B10 Q99714 6/20 0.39
TSHR P16473 5/20 0.39
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 5/20 0.34
GAA P10253 5/20 0.34
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ENPP2 Q13822 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ORAI1 Q96D31 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5952337 0.77 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL14983521 0.77 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL6839513 0.72 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL13318284 0.72 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL20312334 0.71 GAA (0.35) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL5951494 0.70 TRPA1 (0.39) ALDH1A1TSHRCYP3A4CYP1A2MAPT
SCHEMBL17947397 0.70 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL12411332 0.69 IMPDH2 (0.49) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL911112 0.68 TSHR (0.43) ALDH1A1TSHRCYP3A4CYP1A2TDP1
SCHEMBL28867090 0.67 ENPP2 (0.63) ALDH1A1HPGDHSD17B10TSHRCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503481-B2 Three-dimensional organic sandwich chirality and its synthetic assembly TEXAS TECH UNIVERSITY SYSTEM (US) 2025-12-23 US disclosed
US-20220041634-A1 Three-Dimensional Organic Sandwich Chirality and Its Synthetic Assembly TEXAS TECH UNIVERSITY SYSTEM 2022-02-10 US disclosed
WO-2020123613-A1 CHIRAL ORGANIC SANDWICH AND MULTI-LAYER CHIRALITY OF MOLECULES AND ACHIRAL DERIVATIVES TEXAS TECH UNIVERSITY SYSTEM (US) 2020-06-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220041634-A1 Three-Dimensional Organic Sandwich Chirality and Its Synthetic Assembly WNT3, CTNNB1, ORC3 ALDH1A1 997/4885HPGD 3807/4885HSD17B10 1000/4885
US-12503481-B2 Three-dimensional organic sandwich chirality and its synthetic assembly WNT3, CTNNB1, ORC3 ALDH1A1 997/4885HPGD 3807/4885HSD17B10 1000/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.